UCSF

ZINC41256376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 9.26 -6.85 0 3 0 27 230.311 5
Mid Mid (pH 6-8) 3.19 9.77 -33.8 1 3 1 28 231.319 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )